methyl 4-[[[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]sulfonyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]sulfonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[1-(3,3-dimethylbutanoyl)-3-piperidyl]-[4-(trifluoromethyl)phenyl]sulfonyl-amino]methyl]benzoate CAS Name: 4-[[[1-(3,3-dimethyl-1-oxobutyl)-3-piperidinyl]-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate Traditional Name: 4-[[[1-(3,3-dimethylbutanoyl)-3-piperidyl]-[4-(trifluoromethyl)phenyl]sulfonyl-amino]methyl]benzoic acid methyl ester Formula: C27H33F3N2O5S MolecularWeight: 554.62153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCCC(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)CC(=O)N1CCCC(C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C27H33F3N2O5S/c1-26(2,3)16-24(33)31-15-5-6-22(18-31)32(17-19-7-9-20(10-8-19)25(34)37-4)38(35,36)23-13-11-21(12-14-23)27(28,29)30/h7-14,22H,5-6,15-18H2,1-4H3